Vmd.rmsd.csh
From Rizzo_Lab
##start script
#! bin/csh
set psf = "filename.psf"
set dcd = "filename.dcd"
cat << EOF > vmd.rmsd.tcl
mol load psf $psf dcd $dcd
set outfile [open rmsd.dat w]
set nf [molinfo top get numframes]
set frame0 [atomselect top "protein and backbone and noh" frame 0]
set sel [atomselect top "protein and backbone and noh"]
# rmsd calculation loop
for { set i 1 } { \$i <= \$nf } { incr i } {
\$sel frame \$i
\$sel move [measure fit \$sel \$frame0]
puts \$outfile "[measure rmsd \$sel \$frame0]"
}
close \$outfile
exit
EOF
## run vmd.
/nfs/user03/mcgillic/vmd-1.8.6/bin/vmd -dispdev text -e vmd.rmsd.tcl > vmd.rmsd.log
exit
##end script